Dataset

Solanidine (not validated)

This MassBank record with Accession MSBNK-RIKEN-PR310696 contains the MS2 mass spectrum of Solanidine (not validated) with the InChIkey JVKYZPBMZPJNAJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3
SMILES OC6CC5=CCC4C(CCC3(C)(C4(CC2N1CC(C)CCC1C(C)C23)))C5(C)CC6
InChI Key JVKYZPBMZPJNAJ-UHFFFAOYSA-N
Molecular Formula C27H43NO
Exact Mass 397.647 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310696
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:46:56.396488
MetadataModified 2025-02-09T18:26:55.321158
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60049529 NMRShiftDB
PD167280 ProbesDrugs
124343523 PubChem: Thomson Pharma
SCHEMBL12530610 SureChEMBL
522740 PubChem
The data in this table is sourced from UniChem at EBI.